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Learning Physical Dynamics with Subequivariant Graph Neural Networks
Graph Neural Networks (GNNs) have become a prevailing tool for learning physical dynamics. However, they still encounter several challenges: 1) Physical laws abide by symmetry, which is a vital inductive bias accounting for model generalization and should be incorporated into the model design. Existing simulators either consider insufficient symmetry, or enforce excessive equivariance in practice when symmetry is partially broken by gravity.
Mixability made efficient: Fast online multiclass logistic regression
Mixability has been shown to be a powerful tool to obtain algorithms with optimal regret. However, the resulting methods often suffer from high computational complexity which has reduced their practical applicability. For example, in the case of multiclass logistic regression, the aggregating forecaster (Foster et al. (2018)) achieves a regret of O(log(Bn)) whereas Online Newton Step achieves O(eBlog(n)) obtaining a double exponential gain in B (a bound on the norm of comparative functions). However, this high statistical performance is at the price of a prohibitive computational complexity O(n37). In this paper, we use quadratic surrogates to make aggregating forecasters more efficient. We show that the resulting algorithm has still high statistical performance for a large class of losses. In particular, we derive an algorithm for multi-class logistic regression with a regret bounded by O(Blog(n)) and a computational complexity of only O(n4).
Learning State Representations from Random Deep Action-conditional Predictions
Our main contribution in this work is an empirical finding that random General Value Functions (GVFs), i.e., deep action-conditional predictions--random both in what feature of observations they predict as well as in the sequence of actions the predictions are conditioned upon--form good auxiliary tasks for reinforcement learning (RL) problems. In particular, we show that random deep action-conditional predictions when used as auxiliary tasks yield state representations that produce control performance competitive with state-of-the-art hand-crafted auxiliary tasks like value prediction, pixel control, and CURL in both Atari and DeepMind Lab tasks. In another set of experiments we stop the gradients from the RL part of the network to the state representation learning part of the network and show, perhaps surprisingly, that the auxiliary tasks alone are sufficient to learn state representations good enough to outperform an end-to-end trained actor-critic baseline.
Large Language Models Are Bad Dice Players: LLMs Struggle to Generate Random Numbers from Statistical Distributions
Zhao, Minda, Du, Yilun, Wang, Mengyu
As large language models (LLMs) transition from chat interfaces to integral components of stochastic pipelines and systems approaching general intelligence, the ability to faithfully sample from specified probability distributions has become a functional requirement rather than a theoretical curiosity. We present the first large-scale, statistically powered audit of native probabilistic sampling in frontier LLMs, benchmarking 11 models across 15 distributions. To disentangle failure modes, we employ a dual-protocol design: Batch Generation, where a model produces $N{=}1000$ samples within one response, and Independent Requests, comprising $N{=}1000$ stateless calls. We observe a sharp protocol asymmetry: batch generation achieves only modest statistical validity, with a 7% median pass rate, while independent requests collapse almost entirely, with 10 of 11 models passing none of the distributions. Beyond this asymmetry, we reveal that sampling fidelity degrades monotonically with distributional complexity and aggravates as the sampling horizon $N$ increases. Finally, we demonstrate how the propagation of these failures into downstream real-world application tasks introduces systematic biases: models fail to enforce uniform answer-position constraints in Multiple Choice Question generation and systematically violate demographic targets in attribute-constrained text-to-image prompt synthesis. These findings indicate that current LLMs lack a functional internal sampler, necessitating external tools for applications requiring statistical guarantees.
Contrast-Space Projection for Network Meta-Analysis: An Exact and Invariant Study-Based Decomposition of Direct and Indirect Contributions
Wang, Chong, Zhang, Yanqi, Jin, Zhezhen, O'Connor, Annette
Network meta-analysis (NMA) combines direct and indirect comparisons across a connected treatment network to estimate relative treatment effects. However, there is a lack of exact contribution decompositions that reproduce NMA estimates, particularly in the presence of multi-arm trials that induce within-study correlations. We address this reproducibility gap by developing a contrast-space projection formulation of NMA. Working in the space of all estimable pairwise treatment contrasts, we express the NMA estimator as an explicit linear mapping of the observed contrasts onto the consistency-constrained contrast space induced by orthogonal projection. Building on this representation, we introduce a rigorous study-based definition of direct and indirect evidence through a canonical within-study reduction that removes algebraic redundancy and yields a unique, invariant decomposition. This leads to exact covariance-aware decompositions of the NMA estimator into study-level direct and indirect contributions, with indirect evidence further resolved into path-level components. The resulting weights are directly analogous to inverse-variance weights in pairwise meta-analysis and enable, to our knowledge, the first forest-plot representation that exactly reconstructs the NMA estimator. The framework also yields projection-based diagnostic and graphical tools, including forest plots, tension plots, and path-based visualizations. Applications to empirical datasets demonstrate how the proposed approach provides a reproducible and interpretable framework for understanding evidence contributions in network meta-analysis, supporting transparent interpretation and reporting.
Hierarchical Probabilistic Principal Component Analysis of Longitudinal Data
Zhang, Xinyu, Qaqish, Ameer, Lin, D. Y., Li, Didong
In many longitudinal studies, a large number of variables are measured repeatedly over time, with substantial missing data. Existing methods, such as probabilistic principal component analysis (PPCA), are ill-equipped to handle such incomplete, high-dimensional longitudinal data, as they fail to account for the nested sources of variation and temporal dependency inherent in repeated measures. We introduce hierarchical probabilistic principal component analysis (HPPCA), a two-level probabilistic factor model that explicitly separates between-subject variance from time-varying within-subject dynamics. The within-subject latent factors are modeled by a Gaussian process. We develop an EM algorithm to handle missing data and flexible covariance kernels, accelerated by computationally efficient initializers. Simulation studies demonstrated that HPPCA robustly recovers model parameters subspaces and substantially outperforms both standard PPCA and multivariate functional PCA in imputation accuracy, even under heavy missingness and model misspecification. An application to the long COVID symptoms in the Researching COVID to Enhance Recovery adult cohort revealed that HPPCA effectively captured the data's hierarchical structure and its learned features significantly improved the prediction of clinical outcomes and the recovery of masked clinical records compared to exisiting methods.
Nonparametric Estimation of Isotropic Covariance Function
A nonparametric model using a sequence of Bernstein polynomials is constructed to approximate arbitrary isotropic covariance functions valid in $\mathbb{R}^\infty$ and related approximation properties are investigated using the popular $L_{\infty}$ norm and $L_2$ norms. A computationally efficient sieve maximum likelihood (sML) estimation is then developed to nonparametrically estimate the unknown isotropic covaraince function valid in $\mathbb{R}^\infty$. Consistency of the proposed sieve ML estimator is established under increasing domain regime. The proposed methodology is compared numerically with couple of existing nonparametric as well as with commonly used parametric methods. Numerical results based on simulated data show that our approach outperforms the parametric methods in reducing bias due to model misspecification and also the nonparametric methods in terms of having significantly lower values of expected $L_{\infty}$ and $L_2$ norms. Application to precipitation data is illustrated to showcase a real case study. Additional technical details and numerical illustrations are also made available.
Pliable rejection sampling
Erraqabi, Akram, Valko, Michal, Carpentier, Alexandra, Maillard, Odalric-Ambrym
Rejection sampling is a technique for sampling from difficult distributions. However, its use is limited due to a high rejection rate. Common adaptive rejection sampling methods either work only for very specific distributions or without performance guarantees. In this paper, we present pliable rejection sampling (PRS), a new approach to rejection sampling, where we learn the sampling proposal using a kernel estimator. Since our method builds on rejection sampling, the samples obtained are with high probability i.i.d. and distributed according to f. Moreover, PRS comes with a guarantee on the number of accepted samples.